N-phenyl-4-(2-phenylsulfanylethoxy)benzamide

C21H19NO2S — CID 46762944

IUPACN-phenyl-4-(2-phenylsulfanylethoxy)benzamide
SMILESO=C(Nc1ccccc1)c1ccc(OCCSc2ccccc2)cc1
InChIInChI=1S/C21H19NO2S/c23-21(22-18-7-3-1-4-8-18)17-11-13-19(14-12-17)24-15-16-25-20-9-5-2-6-10-20/h1-14H,15-16H2,(H,22,23)
InChIKeyHDKGFTSCKPQDTQ-UHFFFAOYSA-N
MW349.46 g/mol
LogP5.11
Rot. Bonds7

About N-phenyl-4-(2-phenylsulfanylethoxy)benzamide

N-phenyl-4-(2-phenylsulfanylethoxy)benzamide (PubChem CID 46762944) has the molecular formula C21H19NO2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-phenyl-4-(2-phenylsulfanylethoxy)benzamide.

Molecular Properties

Compound NameN-phenyl-4-(2-phenylsulfanylethoxy)benzamide
PubChem CID46762944
Molecular FormulaC21H19NO2S
Molecular Weight349.46 g/mol
Exact Mass349.11
IUPAC NameN-phenyl-4-(2-phenylsulfanylethoxy)benzamide
SMILESO=C(Nc1ccccc1)c1ccc(OCCSc2ccccc2)cc1
InChIInChI=1S/C21H19NO2S/c23-21(22-18-7-3-1-4-8-18)17-11-13-19(14-12-17)24-15-16-25-20-9-5-2-6-10-20/h1-14H,15-16H2,(H,22,23)
InChIKeyHDKGFTSCKPQDTQ-UHFFFAOYSA-N
XLogP5.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.46
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28635830
N-(4-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 38003479
N-(3-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28571355
N-(3,4-dichlorophenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28578298
N-methyl-4-(2-phenylsulfanylethoxy)benzamide
CID 53283867
N-[4-(diethylaminomethyl)phenyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 43909345
4-(2-methoxyethoxy)-N-phenylbenzamide
CID 15943269
N-(2,6-diethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28635770
N-(2,3-dimethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 53284080
N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 46771083
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 43885433
N-(2,4-difluorophenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 30392683

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(2-phenylsulfanylethoxy)benzamide?
The IUPAC name of N-phenyl-4-(2-phenylsulfanylethoxy)benzamide (CID 46762944) is N-phenyl-4-(2-phenylsulfanylethoxy)benzamide.
What is the SMILES notation for N-phenyl-4-(2-phenylsulfanylethoxy)benzamide?
The canonical SMILES for N-phenyl-4-(2-phenylsulfanylethoxy)benzamide is O=C(Nc1ccccc1)c1ccc(OCCSc2ccccc2)cc1.
What is the InChIKey of N-phenyl-4-(2-phenylsulfanylethoxy)benzamide?
The InChIKey is HDKGFTSCKPQDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2S/c23-21(22-18-7-3-1-4-8-18)17-11-13-19(14-12-17)24-15-16-25-20-9-5-2-6-10-20/h1-14H,15-16H2,(H,22,23).
What are the key properties of N-phenyl-4-(2-phenylsulfanylethoxy)benzamide?
N-phenyl-4-(2-phenylsulfanylethoxy)benzamide has a molecular weight of 349.46 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(2-phenylsulfanylethoxy)benzamide is sourced from PubChem (CID 46762944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).